5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole

C57H35N5O — CID 171596946

About 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole

5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 171596946) has the molecular formula C57H35N5O and a molecular weight of 805.94 g/mol. Its IUPAC name is 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
• PubChem CID: 171596946
• Molecular Formula: C57H35N5O
• Molecular Weight: 805.94 g/mol
• Exact Mass: 805.28
• IUPAC Name: 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cc5)cc34)n2)cc1
• InChI: InChI=1S/C57H35N5O/c1-4-14-37(15-5-1)55-58-56(38-16-6-2-7-17-38)60-57(59-55)40-26-30-45-48-32-39(27-31-53(48)63-54(45)33-40)36-24-28-42(29-25-36)62-50-23-13-11-21-44(50)47-34-46-43-20-10-12-22-49(43)61(51(46)35-52(47)62)41-18-8-3-9-19-41/h1-35H
• InChIKey: DJCLQBCHDVCLHS-UHFFFAOYSA-N
• XLogP: 14.63
• TPSA: 61.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.94
LogP ≤ 5	14.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole?

The IUPAC name of 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole (CID 171596946) is 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole.

What is the SMILES notation for 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole?

The canonical SMILES for 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)cc5)cc34)n2)cc1.

What is the InChIKey of 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole?

The InChIKey is DJCLQBCHDVCLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O/c1-4-14-37(15-5-1)55-58-56(38-16-6-2-7-17-38)60-57(59-55)40-26-30-45-48-32-39(27-31-53(48)63-54(45)33-40)36-24-28-42(29-25-36)62-50-23-13-11-21-44(50)47-34-46-43-20-10-12-22-49(43)61(51(46)35-52(47)62)41-18-8-3-9-19-41/h1-35H.

What are the key properties of 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole?

5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 805.94 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 171596946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).